SCHEMBL4395555

SCHEMBL4395555

COCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAMPT P43490 3/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
MAP3K5 Q99683 1/20 0.37
RET P07949 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4395549 1.00 RAB9A (0.40) RAB9AALDH1A1HPGDHTTHCAR2
SCHEMBL3834107 0.91 RET (0.39) RAB9AALDH1A1HPGDHTTHCAR2
SCHEMBL4397403 0.91 RET (0.39) RAB9AALDH1A1HPGDHTTHCAR2
SCHEMBL3830200 0.90 MAPT (0.44) RAB9AALDH1A1HPGDHTTNAMPT
SCHEMBL4399299 0.90 MAPT (0.44) RAB9AALDH1A1HPGDHTTNAMPT
SCHEMBL3833164 0.90 RAB9A (0.42) RAB9ANPC1KDM4EMAP3K5MEN1
SCHEMBL5820105 0.88 KDM4E (0.36) HPGDHCAR2KDM4EMAPTRET
SCHEMBL4400986 0.88 ADORA3 (0.39) RAB9AALDH1A1HPGDHTTHCAR2
SCHEMBL3829271 0.88 ADORA3 (0.39) RAB9AALDH1A1HPGDHTTHCAR2
SCHEMBL4400971 0.86 MLYCD (0.39) RAB9AALDH1A1HPGDNPC1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 RAB9A 1214/4885ALDH1A1 2105/4885HPGD 1508/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885ALDH1A1 2253/4885HPGD 2132/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885ALDH1A1 2944/4885HPGD 2658/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885ALDH1A1 1240/4885HPGD 406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.